CID 56651

Bm 123a

Structural Information

Molecular Formula
C11H17N2O
SMILES
C[N+]1(CC1)CC#CCN2CCCC2=O
InChI
InChI=1S/C11H17N2O/c1-13(9-10-13)8-3-2-6-12-7-4-5-11(12)14/h4-10H2,1H3/q+1
InChIKey
UDOCPFRWZFCDBG-UHFFFAOYSA-N
Compound name
1-[4-(1-methylaziridin-1-ium-1-yl)but-2-ynyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

193.1341 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.14138 137.7
[M+Na]+ 216.12332 152.6
[M-H]- 192.12682 142.2
[M+NH4]+ 211.16792 153.1
[M+K]+ 232.09726 140.4
[M+H-H2O]+ 176.13136 129.7
[M+HCOO]- 238.13230 153.4
[M+CH3COO]- 252.14795 186.4
[M+Na-2H]- 214.10877 144.6
[M]+ 193.13355 133.6
[M]- 193.13465 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.